N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine

C11H15N3S — CID 116968355

IUPACN-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCCc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H15N3S/c1-2-12-7-5-11-14-10(8-15-11)9-4-3-6-13-9/h3-4,6,8,12-13H,2,5,7H2,1H3
InChIKeyDXFOUAFCKNZYRI-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine

N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 116968355) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID116968355
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCCc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C11H15N3S/c1-2-12-7-5-11-14-10(8-15-11)9-4-3-6-13-9/h3-4,6,8,12-13H,2,5,7H2,1H3
InChIKeyDXFOUAFCKNZYRI-UHFFFAOYSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116968651
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969749
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole
CID 17423714
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 137001721
N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 10735945
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 116968355) is N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine is CCNCCc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DXFOUAFCKNZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-12-7-5-11-14-10(8-15-11)9-4-3-6-13-9/h3-4,6,8,12-13H,2,5,7H2,1H3.
What are the key properties of N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine?
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116968355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).